| SpectraBase Compound ID | Bo9J9XQFULZ |
|---|---|
| InChI | InChI=1S/C21H20O9/c1-10(22)29-11-6-7-12(13(8-11)25-2)19-21(28-5)18(24)16-14(30-19)9-15(26-3)20(27-4)17(16)23/h6-9,23H,1-5H3 |
| InChIKey | KFMMMOIQSGMPHD-UHFFFAOYSA-N |
| Mol Weight | 416.38 g/mol |
| Molecular Formula | C21H20O9 |
| Exact Mass | 416.110732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAs8qSv3kJR |
|---|---|
| Name | Chrysosplin, 4'-o-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.110732215 u |
| Formula | C21H20O9 |
| InChI | InChI=1S/C21H20O9/c1-10(22)29-11-6-7-12(13(8-11)25-2)19-21(28-5)18(24)16-14(30-19)9-15(26-3)20(27-4)17(16)23/h6-9,23H,1-5H3 |
| InChIKey | KFMMMOIQSGMPHD-UHFFFAOYSA-N |
| Molecular Weight | 416.382 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C(=C(C=C2O1)OC)OC)O)OC)C1=C(C=C(C=C1)OC(=O)C)OC |